smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(=NN=C(N=NC[C@@H]1C[NH2+]CCN1)N=NC[C@@H]1C[NH2+]CCN1)[C@@H]1C[NH2+]CCN1 ZINC000104063507 518381678 /nfs/dbraw/zinc/38/16/78/518381678.db2.gz LEGQAFLDMAKIBJ-AFTJMQJZSA-N 3 0 392.516 -3.837 40 30 GAEBRP C(=NN=C(N=NC[C@@H]1C[NH2+]CCN1)N=NC[C@@H]1C[NH2+]CCN1)[C@@H]1C[NH2+]CCN1 ZINC000104063513 518376220 /nfs/dbraw/zinc/37/62/20/518376220.db2.gz LEGQAFLDMAKIBJ-SGLZYRKBSA-N 3 0 392.516 -3.837 40 30 GAEBRP C(=NN=C(N=NC[C@@H]1C[NH2+]CCN1)N=NC[C@@H]1C[NH2+]CCN1)[C@@H]1C[NH2+]CCN1 ZINC000104063520 518376805 /nfs/dbraw/zinc/37/68/05/518376805.db2.gz LEGQAFLDMAKIBJ-OMJHKZBMSA-N 3 0 392.516 -3.837 40 30 GAEBRP